| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
| 1 |
1 |
|
B |
197 |
51 |
9400 |
◊ |
A |
x,y,z |
1_555 |
195 |
50 |
9505 |
1903.2 |
-34.3 |
0.010 |
17 |
6 |
0 |
0.476 |
| 2 |
2 |
|
A |
45 |
14 |
9505 |
x |
A |
x-1/2,y-1/2,z |
3_445 |
57 |
15 |
9505 |
468.5 |
-1.2 |
0.585 |
5 |
0 |
0 |
0.000 |
3 |
|
B |
43 |
14 |
9400 |
x |
B |
x-1/2,y+1/2,z |
3_455 |
57 |
15 |
9400 |
467.5 |
-0.9 |
0.608 |
5 |
0 |
0 |
0.000 |
| Average: |
468.0 |
-1.0 |
0.597 |
5 |
0 |
0 |
0.000 |
| 3 |
4 |
|
B |
25 |
8 |
9400 |
◊ |
B |
-x,y,-z-1 |
2_554 |
25 |
8 |
9400 |
243.3 |
2.4 |
0.876 |
8 |
8 |
0 |
0.000 |
5 |
|
A |
24 |
7 |
9505 |
◊ |
A |
-x,y,-z |
2_555 |
24 |
7 |
9505 |
233.7 |
2.7 |
0.889 |
8 |
8 |
0 |
0.000 |
| Average: |
238.5 |
2.5 |
0.882 |
8 |
8 |
0 |
0.000 |
| 4 |
6 |
|
A |
19 |
7 |
9505 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
20 |
7 |
9400 |
171.3 |
0.0 |
0.671 |
5 |
1 |
0 |
0.000 |
7 |
|
B |
19 |
7 |
9400 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
21 |
6 |
9505 |
168.0 |
-0.7 |
0.577 |
2 |
1 |
0 |
0.000 |
| Average: |
169.7 |
-0.3 |
0.624 |
4 |
1 |
0 |
0.000 |
| 5 |
8 |
|
[5IQ]B:563 |
11 |
1 |
297 |
f |
A |
x,y,z |
1_555 |
22 |
11 |
9505 |
137.9 |
-3.0 |
0.490 |
0 |
0 |
0 |
0.067 |
9 |
|
[5IQ]A:463 |
11 |
1 |
297 |
f |
B |
x,y,z |
1_555 |
22 |
11 |
9400 |
135.1 |
-3.0 |
0.477 |
0 |
0 |
0 |
0.067 |
| Average: |
136.5 |
-3.0 |
0.484 |
0 |
0 |
0 |
0.067 |
| 6 |
10 |
|
[GOL]A:462 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
9505 |
100.0 |
-0.5 |
0.567 |
4 |
0 |
0 |
0.050 |
11 |
|
[GOL]B:562 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
9400 |
98.3 |
-0.4 |
0.592 |
4 |
0 |
0 |
0.050 |
| Average: |
99.2 |
-0.5 |
0.580 |
4 |
0 |
0 |
0.050 |
| 7 |
12 |
|
[5IQ]A:463 |
11 |
1 |
297 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
9505 |
92.2 |
-1.8 |
0.483 |
2 |
0 |
0 |
0.059 |
13 |
|
[5IQ]B:563 |
11 |
1 |
297 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
9400 |
90.9 |
-1.8 |
0.476 |
2 |
0 |
0 |
0.059 |
| Average: |
91.5 |
-1.8 |
0.479 |
2 |
0 |
0 |
0.059 |
| 8 |
14 |
|
[SO4]A:561 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
9505 |
89.4 |
-12.8 |
0.823 |
5 |
0 |
0 |
0.333 |
15 |
|
[SO4]B:461 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
9400 |
88.9 |
-12.8 |
0.811 |
5 |
0 |
0 |
0.333 |
| Average: |
89.2 |
-12.8 |
0.817 |
5 |
0 |
0 |
0.333 |
| 9 |
16 |
|
[SO4]B:461 |
4 |
1 |
185 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
5 |
2 |
9400 |
63.5 |
-6.6 |
0.965 |
4 |
0 |
0 |
0.000 |
17 |
|
[SO4]A:561 |
4 |
1 |
185 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
5 |
2 |
9505 |
63.3 |
-7.0 |
0.950 |
5 |
0 |
0 |
0.000 |
| Average: |
63.4 |
-6.8 |
0.958 |
5 |
0 |
0 |
0.000 |
| 10 |
18 |
|
B |
3 |
2 |
9400 |
x |
B |
-x-1/2,y-1/2,-z-1 |
4_444 |
3 |
1 |
9400 |
39.5 |
0.8 |
0.862 |
0 |
0 |
0 |
0.000 |
19 |
|
A |
2 |
1 |
9505 |
x |
A |
-x-1/2,y-1/2,-z |
4_445 |
4 |
2 |
9505 |
36.0 |
0.8 |
0.868 |
0 |
0 |
0 |
0.000 |
| Average: |
37.8 |
0.8 |
0.865 |
0 |
0 |
0 |
0.000 |
| 11 |
20 |
|
[GOL]B:562 |
4 |
1 |
219 |
f |
[5IQ]A:463 |
x,y,z |
1_555 |
8 |
1 |
297 |
37.1 |
-0.3 |
0.781 |
0 |
0 |
0 |
0.003 |
| 12 |
21 |
|
[GOL]B:562 |
3 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
9505 |
36.7 |
0.3 |
0.668 |
1 |
0 |
0 |
0.003 |
22 |
|
[GOL]A:462 |
2 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
9400 |
34.1 |
0.3 |
0.664 |
1 |
0 |
0 |
0.003 |
| Average: |
35.4 |
0.3 |
0.666 |
1 |
0 |
0 |
0.003 |
| 13 |
23 |
|
[GOL]A:462 |
5 |
1 |
219 |
f |
[5IQ]B:563 |
x,y,z |
1_555 |
8 |
1 |
297 |
36.3 |
-0.4 |
0.744 |
1 |
0 |
0 |
0.009 |
|